ODANACATIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: N673F6W2VH

Structure
InChI Key FWIVDMJALNEADT-SFTDATJTSA-N
Smile CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1
InChI
InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27F4N3O3S
Molecular Weight 525.57
AlogP 4.63
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 99.06
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cathepsin K inhibitor PubMed
Primary Target
cathepsin K
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 0-0 - 0 19

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoporosis 3 D010024 ClinicalTrials
Osteoporosis, Postmenopausal 3 D015663 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Osteoarthritis 2 D010003 ClinicalTrials
Renal Insufficiency 1 D051437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 603139-19-1
ChEMBL CHEMBL481611
DrugBank DB06670
EPA CompTox DTXSID40209075
FDA SRS N673F6W2VH
Guide to Pharmacology 6478
PubChem 10152654
SureChEMBL SCHEMBL1496266
ZINC ZINC000042893657
CONTENTS